Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02551243
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
GC7 | 1-GUANIDINIUM-7-AMINOHEPTANE | A,B | 1RQD | 0.76 | |
2EP | 2-ETHYLPIPERIDINE | H,I | 1A4W | 0.71 | |
104 | N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINE | A,B | 1DJ6 | 0.73 | |
HPL | HEPTYLFORMAMIDE | A,B | 1U3V | 0.7 | |
MD2 | N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE- DIAMINE | A,B,C | 1B5Q | 0.7 | |
DRE | N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE | A,B | 1Z6L | 0.91 | |
SPE | THERMINE | A,B | 319D | 0.74 | |
DIA | OCTANE 1,8-DIAMINE | A,B | 3BI5 | 0.71 | |
DIA | OCTANE 1,8-DIAMINE | A,B,C | 1H83 | 0.71 | |
P2Y | (2S)-PYRROLIDIN-2-YLMETHYLAMINE | A,B,C,D | 1ORW | 0.76 | |
297 | dodecane-1,12-diamine | A,B | 3BI2 | 0.71 | |
B33 | N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE- 1,3-DIAMINE | A,B | 2B4B | 0.79 | |
SPJ | (3R,3'R)-N~1~,N~1~'-butane-1,4- diyldibutane-1,3-diamine | A,B | 3BNM | 0.75 | |
A72 | TRANS-BIS(HEXYLAMINE)-(DIAMMINE) PLATINUM(II) COMPLEX | A,B | 2DYW | 0.74 | |
PAW | N-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE- 1,2-DIAMINE | A,B | 2IE1 | 0.76 | |
DIP | DIPENTYLAMINE | C,D | 1A1B | 0.88 | |
DIP | DIPENTYLAMINE | C,D | 1A07 | 0.88 | |
DIP | DIPENTYLAMINE | C,D | 1A1A | 0.88 | |
DIP | DIPENTYLAMINE | C,D | 1A08 | 0.88 | |
DIP | DIPENTYLAMINE | C,D | 1A09 | 0.88 | |
SPD | SPERMIDINE | 1,2,3,4 | 1POY | 0.76 | |
SPD | SPERMIDINE | A,B | 3BXZ | 0.76 | |
SPD | SPERMIDINE | A | 2ELG | 0.76 | |
SPD | SPERMIDINE | A,B,C | 2PWP | 0.76 | |
SPD | SPERMIDINE | A,B | 1BO4 | 0.76 | |
SPD | SPERMIDINE | A,B,C,D | 3C6K | 0.76 | |
SPD | SPERMIDINE | A,B | 2O07 | 0.76 | |
SPD | SPERMIDINE | A | 2P1E | 0.76 | |
SPD | SPERMIDINE | A,B | 293D | 0.76 | |
SPD | SPERMIDINE | A,B | 1TYP | 0.76 | |
SPD | SPERMIDINE | A,B,C,D | 2QBY | 0.76 | |
SPD | SPERMIDINE | A,B | 3CN8 | 0.76 | |
SPD | SPERMIDINE | A | 1U8D | 0.76 | |
SPD | SPERMIDINE | A | 2P18 | 0.76 | |
SPD | SPERMIDINE | A,B | 2HMP | 0.76 | |
SPD | SPERMIDINE | D | 1I2X | 0.76 | |
SPD | SPERMIDINE | A | 1POT | 0.76 | |
PIP | PIPERIDINE | H | 1ETS | 0.71 | |
PIP | PIPERIDINE | H | 1ETT | 0.71 | |
PIP | PIPERIDINE | E,I | 1PPC | 0.71 | |
PIP | PIPERIDINE | I | 1QUR | 0.71 | |
PIP | PIPERIDINE | E | 1PPH | 0.71 | |
16D | HEXANE-1,6-DIAMINE | A,B,C | 2QK9 | 0.72 | |
16D | HEXANE-1,6-DIAMINE | A,B,C,D,E,F | 1WOG | 0.72 | |
P24 | 1-(AMINOETHYL)AMINO-4-AMINOBUTANE | B | 1O9M | 0.84 | |
P24 | 1-(AMINOETHYL)AMINO-4-AMINOBUTANE | A,B | 292D | 0.84 |